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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM163626'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM163626
PNG
(SR-3302 | US10807944, Compound RLS2-211 | US117319...)
Show SMILES CCCCNNC(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C15H24N2O/c1-5-6-11-16-17-14(18)12-7-9-13(10-8-12)15(2,3)4/h7-10,16H,5-6,11H2,1-4H3,(H,17,18)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 190n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2445RM9
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM163626
PNG
(SR-3302 | US10807944, Compound RLS2-211 | US117319...)
Show SMILES CCCCNNC(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C15H24N2O/c1-5-6-11-16-17-14(18)12-7-9-13(10-8-12)15(2,3)4/h7-10,16H,5-6,11H2,1-4H3,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 190n/an/an/an/an/an/a



University of Florida Research Foundation, Inc.; The Scripps Research Institute

US Patent


Assay Description
These SAR data indicate that a tripartite structure of this scaffold with a central —C(O)—NH—NH— unit flanked by a phenyl group and a short aliphatic...


US Patent US10807944 (2020)


BindingDB Entry DOI: 10.7270/Q2M048J6
More data for this
Ligand-Target Pair